[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate

C22H20N2O6 — CID 7771212

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
SMILESCc1cccc(COc2ccccc2C(=O)OCC(=O)NNC(=O)c2ccco2)c1
InChIInChI=1S/C22H20N2O6/c1-15-6-4-7-16(12-15)13-29-18-9-3-2-8-17(18)22(27)30-14-20(25)23-24-21(26)19-10-5-11-28-19/h2-12H,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyIECIWOXQWUUSEH-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.79
Rot. Bonds7

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate (PubChem CID 7771212) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
PubChem CID7771212
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
SMILESCc1cccc(COc2ccccc2C(=O)OCC(=O)NNC(=O)c2ccco2)c1
InChIInChI=1S/C22H20N2O6/c1-15-6-4-7-16(12-15)13-29-18-9-3-2-8-17(18)22(27)30-14-20(25)23-24-21(26)19-10-5-11-28-19/h2-12H,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyIECIWOXQWUUSEH-UHFFFAOYSA-N
XLogP2.79
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16593967
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 2500439
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7399136
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 42979686
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771214
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 6599751
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771198
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16556425
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582114

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate (CID 7771212) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate is Cc1cccc(COc2ccccc2C(=O)OCC(=O)NNC(=O)c2ccco2)c1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate?
The InChIKey is IECIWOXQWUUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-15-6-4-7-16(12-15)13-29-18-9-3-2-8-17(18)22(27)30-14-20(25)23-24-21(26)19-10-5-11-28-19/h2-12H,13-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate has a molecular weight of 408.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 7771212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).